Crystallography Open Database

Information card for entry 2220953

2220952 << 2220953 >> 2220954

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Structure parameters

Chemical name	1-(2-fluorobenzyl)-1-(2-fluorobenzyloxy)urea
Formula	C15 H14 F2 N2 O2
Calculated formula	C15 H14 F2 N2 O2
SMILES	c1(c(cccc1)F)CN(C(=O)N)OCc1c(cccc1)F
Title of publication	1-(2-Fluorobenzyl)-1-(2-fluorobenzyloxy)urea
Authors of publication	Mai, Xi; Xia, Hong-Ying; Cao, Yu-Sheng; Lu, Xiao-San; Fang, Xiao-Niu
Journal of publication	Acta Crystallographica Section E
Year of publication	2009
Journal volume	65
Journal issue	2
Pages of publication	o442
a	5.196 ± 0.005 Å
b	30.11 ± 0.03 Å
c	9.059 ± 0.008 Å
α	90°
β	102.11 ± 0.016°
γ	90°
Cell volume	1386 ± 2 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.154
Residual factor for significantly intense reflections	0.0797
Weighted residual factors for significantly intense reflections	0.2305
Weighted residual factors for all reflections included in the refinement	0.26
Goodness-of-fit parameter for all reflections included in the refinement	1.019
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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